[2-[(2-hydroxy-5-methylphenyl)diazenyl]phenyl]methanediol

C14H14N2O3 — CID 5249734

IUPAC[2-[(2-hydroxy-5-methylphenyl)diazenyl]phenyl]methanediol
SMILESCc1ccc(O)c(/N=N/c2ccccc2C(O)O)c1
InChIInChI=1S/C14H14N2O3/c1-9-6-7-13(17)12(8-9)16-15-11-5-3-2-4-10(11)14(18)19/h2-8,14,17-19H,1H3/b16-15+
InChIKeyQMXOGVWTHFTHEU-FOCLMDBBSA-N
MW258.28 g/mol
LogP3.10
Rot. Bonds3

About [2-[(2-hydroxy-5-methylphenyl)diazenyl]phenyl]methanediol

[2-[(2-hydroxy-5-methylphenyl)diazenyl]phenyl]methanediol (PubChem CID 5249734) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is [2-[(2-hydroxy-5-methylphenyl)diazenyl]phenyl]methanediol.

Molecular Properties

Compound Name[2-[(2-hydroxy-5-methylphenyl)diazenyl]phenyl]methanediol
PubChem CID5249734
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name[2-[(2-hydroxy-5-methylphenyl)diazenyl]phenyl]methanediol
SMILESCc1ccc(O)c(/N=N/c2ccccc2C(O)O)c1
InChIInChI=1S/C14H14N2O3/c1-9-6-7-13(17)12(8-9)16-15-11-5-3-2-4-10(11)14(18)19/h2-8,14,17-19H,1H3/b16-15+
InChIKeyQMXOGVWTHFTHEU-FOCLMDBBSA-N
XLogP3.10
TPSA85.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

benzene;2-[(2-hydroxy-5-methylphenyl)diazenyl]-4-methylphenol
CID 160570750
4-methyl-2-[(4-phenyldiazenylphenyl)diazenyl]phenol
CID 3519903
2-[(3,5-dimethylphenyl)diazenyl]-4-methylphenol
CID 3520182
2-[(2,6-diethylphenyl)diazenyl]-4-methylphenol
CID 136862367
hexapotassium;bis([2-[(5-methyl-2-oxidophenyl)diazenyl]phenyl]methanediolate);decahydroxide
CID 5256685
2-[[3-[[4-[(2-hydroxy-5-methylphenyl)diazenyl]-2,5-dimethylphenyl]-phenylmethyl]-2,5-dimethylphenyl]diazenyl]-4-methylphenol
CID 137157437
1-[4-[(2-hydroxy-5-methylphenyl)diazenyl]phenyl]ethanone
CID 3514586
4-tert-butyl-2-[(2-hydroxyphenyl)diazenyl]phenol
CID 135787806
2-[(2-methoxy-3,5-dimethylphenyl)diazenyl]phenol
CID 135597406
2-[(2-aminophenyl)diazenyl]-4-methylaniline
CID 118232962
2-isocyanato-4-methylphenol
CID 83382946
2-[[2-amino-4-(4-methylphenyl)sulfanylphenyl]diazenyl]-4-methylphenol
CID 137196775

Frequently Asked Questions

What is the IUPAC name of [2-[(2-hydroxy-5-methylphenyl)diazenyl]phenyl]methanediol?
The IUPAC name of [2-[(2-hydroxy-5-methylphenyl)diazenyl]phenyl]methanediol (CID 5249734) is [2-[(2-hydroxy-5-methylphenyl)diazenyl]phenyl]methanediol.
What is the SMILES notation for [2-[(2-hydroxy-5-methylphenyl)diazenyl]phenyl]methanediol?
The canonical SMILES for [2-[(2-hydroxy-5-methylphenyl)diazenyl]phenyl]methanediol is Cc1ccc(O)c(/N=N/c2ccccc2C(O)O)c1.
What is the InChIKey of [2-[(2-hydroxy-5-methylphenyl)diazenyl]phenyl]methanediol?
The InChIKey is QMXOGVWTHFTHEU-FOCLMDBBSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-9-6-7-13(17)12(8-9)16-15-11-5-3-2-4-10(11)14(18)19/h2-8,14,17-19H,1H3/b16-15+.
What are the key properties of [2-[(2-hydroxy-5-methylphenyl)diazenyl]phenyl]methanediol?
[2-[(2-hydroxy-5-methylphenyl)diazenyl]phenyl]methanediol has a molecular weight of 258.28 g/mol, XLogP of 3.10, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-hydroxy-5-methylphenyl)diazenyl]phenyl]methanediol is sourced from PubChem (CID 5249734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).